%chk=000010616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010616

0 1
 O   0.1559000       3.037800     -0.4063000    
 O   -5.097600     -0.5260000      0.6192000    
 N    1.203600      0.3636000      0.3056000    
 N   0.8762000       2.286800      -2.452800    
 C   0.2659000      0.6406000     -0.7840000    
 C    1.098900      -1.035900      0.7221000    
 C    2.568500      0.6781000     -9.9399999E-02
 C    1.487400      -1.962500     -0.4288000    
 C    3.533600      0.4456000       1.061800    
 C   -1.168200      0.3286000     -0.4093000    
 C    1.405400      -3.430400     -8.2999999E-03
 C    4.975000      0.7493000      0.6517000    
 C   0.4219000       2.106700      -1.163600    
 C   -1.774900       1.005000      0.6489000    
 C   -1.882100     -0.6350000      -1.121900    
 C    1.756500      -4.360200      -1.158800    
 C    5.937600      0.5544000       1.812300    
 C   -3.095500      0.7181000      0.9945000    
 C   -3.202600     -0.9220000     -0.7764000    
 C   -3.809300     -0.2454000      0.2819000    
 C   -5.656300      0.2028000       1.711400    
 H   0.5203000      6.7500003E-02  -1.683000    
 H    1.691600      -1.246000       1.617500    
 H   8.3600000E-02  -1.276000       1.060200    
 H    2.658800       1.747100     -0.3279000    
 H    2.899600      0.1628000      -1.007700    
 H    2.517000      -1.799100     -0.7602000    
 H   0.8398000      -1.853400      -1.301400    
 H    3.536400     -0.5948000       1.398500    
 H    3.250700       1.070500       1.918300    
 H   0.3923000      -3.661600      0.3414000    
 H    2.088800      -3.617500      0.8283000    
 H    5.051200       1.783000      0.2948000    
 H    5.272800      9.6799999E-02 -0.1774000    
 H   -1.235800       1.743500       1.235200    
 H   -1.427600      -1.168400      -1.952100    
 H    1.067900      -4.223900      -1.998900    
 H    1.693300      -5.403700     -0.8348000    
 H    2.775000      -4.177000      -1.515600    
 H    5.913900     -0.4787000       2.173400    
 H    6.961300      0.7802000       1.497400    
 H    5.685400       1.216400       2.646900    
 H   -3.503700       1.276700       1.829900    
 H   -3.753800      -1.672900      -1.335700    
 H    1.016200       3.220000      -2.825700    
 H    1.094600       1.516100      -3.075800    
 H   -6.686100     -0.1464000       1.839800    
 H   -5.707100       1.275400       1.495500    
 H   -5.128300     -7.7999998E-03   2.647500    


%chk=000010616-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010616

0 1
O 0.596428 3.074611 -0.203703
O -5.142257 -0.378010 0.441172
N 1.330937 0.247661 0.152109
N 0.401206 2.589423 -2.461128
C 0.372721 0.681833 -0.890155
C 1.154208 -1.162769 0.588843
C 2.733752 0.632275 -0.158146
C 1.478918 -2.270112 -0.453415
C 3.712028 0.397105 1.010941
C -1.080865 0.390696 -0.508584
C 1.283360 -3.684306 0.139315
C 5.089989 1.047372 0.745716
C 0.486114 2.220902 -1.128028
C -1.614539 0.909072 0.695602
C -1.925520 -0.366887 -1.357699
C 1.593611 -4.811334 -0.869501
C 6.103316 0.781493 1.879561
C -2.959411 0.676285 1.054227
C -3.270417 -0.607097 -1.017144
C -3.791410 -0.083910 0.192161
C -5.733055 0.150750 1.672587
H 0.573595 0.185367 -1.878892
H 1.786014 -1.317616 1.482651
H 0.108115 -1.285302 0.923005
H 2.734723 1.714420 -0.382392
H 3.121911 0.109533 -1.071096
H 2.523314 -2.165884 -0.812123
H 0.822404 -2.157887 -1.340577
H 3.859755 -0.686814 1.191264
H 3.267050 0.823523 1.931390
H 0.239193 -3.785883 0.499428
H 1.932308 -3.797896 1.032255
H 4.956698 2.140354 0.616069
H 5.498706 0.666056 -0.213129
H -0.960254 1.501373 1.344324
H -1.527530 -0.781023 -2.293100
H 0.936411 -4.740313 -1.756827
H 1.445945 -5.810503 -0.419414
H 2.640574 -4.750575 -1.222388
H 6.282241 -0.303104 2.006851
H 7.077125 1.262586 1.672963
H 5.729372 1.174802 2.843463
H -3.344881 1.091909 1.990184
H -3.930349 -1.193898 -1.663270
H 0.374633 3.582249 -2.692531
H 0.304371 1.900643 -3.205258
H -6.778910 -0.189758 1.658266
H -5.701029 1.257554 1.692344
H -5.222617 -0.250166 2.570007


